%chk=000127833.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127833

1 1
 O   -2.725200       1.881800      0.3480000    
 N   0.6771000      -1.400000     -7.3500000E-02
 N  -3.3100002E-02   1.224300      0.1834000    
 C  -0.6287000      -1.090100      5.5999998E-03
 C    1.647500     -0.4705000     -3.1500001E-02
 C  -0.9767000      0.2663000      0.1378000    
 C    1.264000      0.8762000      0.1010000    
 C   -2.330300      0.5803000      0.2194000    
 C   -1.603400      -2.092700     -4.2800002E-02
 C    1.060800      -2.818800     -0.2138000    
 C    2.993700     -0.8414000     -0.1180000    
 C    2.273700       1.833400      0.1435000    
 C   -3.312700     -0.4136000      0.1719000    
 C   -2.949000      -1.750400      4.0899999E-02
 C    3.982300      0.1361000     -7.3299997E-02
 C    3.622200       1.474000      5.7599999E-02
 C   -2.962200       2.605100     -0.8562000    
 H   -1.400900      -3.154700     -9.4999999E-02
 H   0.3347000      -3.383800     -0.7976000    
 H    1.955700      -2.943100     -0.8229000    
 H    1.191200      -3.240400      0.7858000    
 H    3.355800      -1.860000     -0.1725000    
 H    2.017900       2.886200      0.2459000    
 H   -4.364400     -0.1484000      0.2403000    
 H   -3.712600      -2.522100      1.5300000E-02
 H    5.030500     -0.1423000     -0.1289000    
 H    4.389800       2.241600      9.5899999E-02
 H   -3.774700       2.144400      -1.427200    
 H   -2.054500       2.651200      -1.466000    
 H   -3.256400       3.624500     -0.5915000    


%chk=000127833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127833

1 1
O -3.115778 1.672857 -0.231402
N 0.666095 -1.564375 -0.063815
N -0.222581 1.121387 -0.244783
C -0.713303 -1.292717 -0.035605
C 1.612105 -0.538591 -0.124465
C -1.124114 0.119366 -0.143845
C 1.114620 0.828650 -0.228191
C -2.557243 0.431593 -0.138249
C -1.680611 -2.310250 0.085592
C 1.077541 -2.993310 -0.024441
C 3.021314 -0.751176 -0.089440
C 2.040068 1.920850 -0.314452
C -3.486184 -0.621313 -0.019399
C -3.046841 -1.956596 0.093013
C 3.892372 0.342048 -0.170114
C 3.410894 1.685385 -0.289163
C -2.391599 2.959449 -0.378133
H -1.406589 -3.360543 0.188115
H 0.528327 -3.551137 -0.799465
H 2.147106 -3.095129 -0.230141
H 0.857051 -3.424087 0.966997
H 3.451683 -1.748166 0.016360
H 1.622398 2.927955 -0.395288
H -4.549904 -0.372037 -0.013545
H -3.795353 -2.749078 0.191741
H 4.971581 0.161457 -0.136585
H 4.121455 2.513815 -0.352845
H -1.792232 2.961615 -1.301696
H -1.738360 3.134893 0.490455
H -3.201817 3.700285 -0.425614


